1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea

C25H27N7O2 — CID 121416677

IUPAC1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H](CN4CCOCC4)c4ccccc4)ncc32)ccn1
InChIInChI=1S/C25H27N7O2/c1-18-13-21(7-8-26-18)32-23-16-27-24(14-20(23)15-28-32)30-25(33)29-22(19-5-3-2-4-6-19)17-31-9-11-34-12-10-31/h2-8,13-16,22H,9-12,17H2,1H3,(H2,27,29,30,33)/t22-/m1/s1
InChIKeyLQNHICYEQVMVKQ-JOCHJYFZSA-N
MW457.54 g/mol
LogP3.32
Rot. Bonds6

About 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea

1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea (PubChem CID 121416677) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea
PubChem CID121416677
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H](CN4CCOCC4)c4ccccc4)ncc32)ccn1
InChIInChI=1S/C25H27N7O2/c1-18-13-21(7-8-26-18)32-23-16-27-24(14-20(23)15-28-32)30-25(33)29-22(19-5-3-2-4-6-19)17-31-9-11-34-12-10-31/h2-8,13-16,22H,9-12,17H2,1H3,(H2,27,29,30,33)/t22-/m1/s1
InChIKeyLQNHICYEQVMVKQ-JOCHJYFZSA-N
XLogP3.32
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea with MolForge

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Related Compounds

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1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
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Pyrazolo pyrimidine, 21
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Pyrazolo pyrimidine, 22
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Pyrazolo pyrimidine, 24
CID 44233639
Pyrazolo pyrimidine, 25
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CID 57861407

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea?
The IUPAC name of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea (CID 121416677) is 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea.
What is the SMILES notation for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea?
The canonical SMILES for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea is Cc1cc(-n2ncc3cc(NC(=O)N[C@H](CN4CCOCC4)c4ccccc4)ncc32)ccn1.
What is the InChIKey of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea?
The InChIKey is LQNHICYEQVMVKQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-18-13-21(7-8-26-18)32-23-16-27-24(14-20(23)15-28-32)30-25(33)29-22(19-5-3-2-4-6-19)17-31-9-11-34-12-10-31/h2-8,13-16,22H,9-12,17H2,1H3,(H2,27,29,30,33)/t22-/m1/s1.
What are the key properties of 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea?
1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea has a molecular weight of 457.54 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1S)-2-morpholin-4-yl-1-phenylethyl]urea is sourced from PubChem (CID 121416677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).